Ligand Information
| Ligand General Information | Top | |||
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| Ligand ID |
L1SEN9
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| Ligand Name |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide
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| Synonyms |
(4S,7S,11R,13E,19S)-N-[2-(2-aminoethoxy)ethyl]-4-[(4-benzoylphenyl)methyl]-7-benzyl-3,6,12,15,21-pentaoxo-1,3,4,5,6,7,8,9,10,12,15,16,17,18,19,20,21,22-octadecahydro-2H-7,11-methano-2,5,11,16,20-benzopentaazacyclotetracosine-19-carboxamide; SCHEMBL23512299; (13S,4S,12S,E)-N-(2-(2-aminoethoxy)ethyl)-4-(4-benzoylbenzyl)-13-benzyl-2,5,10,16,19-pentaoxo-3,6,11,15-tetraaza-1(3,1)-piperidina-8(1,2)-benzenacyclononadecaphan-17-ene-12-carboxamide; I44
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| Structure |
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Download2D MOL
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| Formula |
C50H57N7O8
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| Canonical SMILES |
C1CC2(CN(C1)C(=O)C=CC(=O)NCCC(NC(=O)CC3=CC=CC=C3CNC(=O)C(NC2=O)CC4=CC=C(C=C4)C(=O)C5=CC=CC=C5)C(=O)NCCOCCN)CC6=CC=CC=C6
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| InChI |
1S/C50H57N7O8/c51-24-28-65-29-26-53-47(62)41-22-25-52-43(58)20-21-45(60)57-27-9-23-50(34-57,32-36-10-3-1-4-11-36)49(64)56-42(48(63)54-33-40-15-8-7-14-39(40)31-44(59)55-41)30-35-16-18-38(19-17-35)46(61)37-12-5-2-6-13-37/h1-8,10-21,41-42H,9,22-34,51H2,(H,52,58)(H,53,62)(H,54,63)(H,55,59)(H,56,64)/b21-20+/t41-,42-,50-/m0/s1
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| InChIKey |
PHYJBBBUSSWXIF-WCPWUSDXSA-N
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| PubChem Compound ID | ||||
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